Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a2s_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 48.A O no hydrogen 3.517 N/A THR 3.A N LYS 46.A O no hydrogen 2.710 N/A TYR 5.A N GLY 44.A O no hydrogen 3.058 N/A TYR 5.A OH GLU 62.A OE1 no hydrogen 2.526 N/A GLY 6.A N PHE 341.A O no hydrogen 3.181 N/A THR 7.A N LYS 42.A O no hydrogen 3.092 N/A ILE 8.A N HIS 339.A O no hydrogen 2.806 N/A LYS 9.A N SER 41.A OG no hydrogen 3.036 N/A LYS 9.A NZ GLU 110.A OE1 no hydrogen 2.790 N/A LYS 9.A NZ GLU 110.A OE2 no hydrogen 3.442 N/A ALA 10.A N LEU 337.A O no hydrogen 3.024 N/A GLY 11.A N ALA 37.A O no hydrogen 3.017 N/A VAL 12.A N VAL 335.A O no hydrogen 2.787 N/A GLU 13.A N GLN 35.A O no hydrogen 2.783 N/A VAL 14.A N SER 333.A O no hydrogen 2.800 N/A SER 15.A N ALA 33.A O no hydrogen 2.920 N/A ARG 16.A N THR 331.A O no hydrogen 2.934 N/A ARG 16.A NE SER 30.A O no hydrogen 3.240 N/A VAL 17.A N SER 30.A OG no hydrogen 3.012 N/A LYS 18.A N GLU 329.A O no hydrogen 2.672 N/A LYS 18.A NZ GLU 329.A OE2 no hydrogen 3.382 N/A ASP 19.A N GLY 28.A O no hydrogen 2.668 N/A GLY 21.A N ASP 19.A OD1 no hydrogen 3.134 N/A THR 22.A OG1 ASP 19.A OD2 no hydrogen 2.727 N/A TYR 23.A N ASP 19.A O no hydrogen 2.886 N/A SER 30.A N VAL 17.A O no hydrogen 2.741 N/A SER 30.A OG VAL 17.A O no hydrogen 2.973 N/A SER 30.A OG LYS 31.A O no hydrogen 2.935 N/A ALA 33.A N SER 15.A O no hydrogen 2.831 N/A GLN 35.A N GLU 13.A O no hydrogen 2.893 N/A ALA 37.A N GLY 11.A O no hydrogen 2.873 N/A PHE 39.A N LYS 9.A O no hydrogen 2.788 N/A GLY 40.A N ASP 38.A OD2 no hydrogen 2.803 N/A SER 41.A N ASP 38.A OD2 no hydrogen 2.903 N/A SER 41.A OG LYS 9.A O no hydrogen 3.256 N/A SER 41.A OG ASP 38.A OD1 no hydrogen 2.602 N/A LYS 42.A N THR 7.A O no hydrogen 2.959 N/A ILE 43.A N GLN 63.A O no hydrogen 3.125 N/A GLY 44.A N TYR 5.A O no hydrogen 2.898 N/A PHE 45.A N LEU 61.A O no hydrogen 2.916 N/A LYS 46.A N THR 3.A O no hydrogen 3.031 N/A GLY 47.A N TRP 59.A O no hydrogen 3.185 N/A GLN 48.A N GLN 1.A O no hydrogen 3.450 N/A GLU 49.A N ALA 57.A O no hydrogen 2.889 N/A LEU 51.A N MET 55.A O no hydrogen 2.732 N/A GLY 52.A N ASP 50.A OD1 no hydrogen 3.193 N/A LYS 56.A N LYS 84.A O no hydrogen 2.683 N/A ALA 57.A N GLU 49.A O no hydrogen 2.896 N/A ILE 58.A N GLY 82.A O no hydrogen 2.935 N/A TRP 59.A N GLY 47.A O no hydrogen 3.153 N/A GLN 60.A N PHE 80.A O no hydrogen 2.946 N/A GLN 60.A NE2 GLN 78.A O no hydrogen 3.040 N/A LEU 61.A N PHE 45.A O no hydrogen 2.750 N/A GLU 62.A N SER 79.A OG no hydrogen 3.048 N/A GLN 63.A N ILE 43.A O no hydrogen 2.858 N/A LYS 64.A N ASN 76.A OD1 no hydrogen 2.906 N/A ALA 65.A N SER 41.A O no hydrogen 2.765 N/A ILE 67.A N ASP 38.A OD1 no hydrogen 3.004 N/A ALA 68.A N SER 66.A OG no hydrogen 2.936 N/A GLY 69.A N SER 66.A O no hydrogen 3.100 N/A ARG 77.A N GLU 62.A O no hydrogen 3.070 N/A ARG 77.A NE GLU 62.A OE2 no hydrogen 2.810 N/A ARG 77.A NH2 GLU 62.A OE2 no hydrogen 3.396 N/A SER 79.A N ASN 94.A O no hydrogen 2.895 N/A SER 79.A OG ARG 77.A O no hydrogen 2.759 N/A PHE 80.A N GLN 60.A O no hydrogen 2.889 N/A ILE 81.A N ALA 92.A O no hydrogen 3.126 N/A GLY 82.A N ILE 58.A O no hydrogen 2.827 N/A LEU 83.A N VAL 90.A O no hydrogen 2.859 N/A LYS 84.A N LYS 56.A O no hydrogen 2.935 N/A GLY 85.A N GLY 88.A O no hydrogen 2.992 N/A GLY 88.A N GLY 85.A O no hydrogen 3.280 N/A THR 89.A N ASP 137.A O no hydrogen 2.759 N/A VAL 90.A N LEU 83.A O no hydrogen 2.875 N/A ARG 91.A N ARG 135.A O no hydrogen 2.961 N/A ARG 91.A NH2 ASP 137.A OD1 no hydrogen 2.857 N/A ALA 92.A N ILE 81.A O no hydrogen 2.952 N/A GLY 93.A N SER 133.A O no hydrogen 3.130 N/A LEU 95.A N GLU 131.A O no hydrogen 2.914 N/A ASN 96.A N GLN 78.A OE1 no hydrogen 2.700 N/A ASN 96.A ND2 ASP 101.A OD1 no hydrogen 2.879 N/A THR 97.A N SER 129.A O no hydrogen 3.007 N/A ASP 101.A N THR 97.A O no hydrogen 3.061 N/A SER 102.A N VAL 98.A O no hydrogen 3.056 N/A SER 102.A OG LEU 99.A O no hydrogen 2.783 N/A GLY 103.A N LEU 99.A O no hydrogen 3.233 N/A GLY 103.A N LYS 100.A O no hydrogen 3.168 N/A ASP 104.A N ASP 101.A O no hydrogen 3.185 N/A ASN 105.A N SER 102.A O no hydrogen 3.113 N/A ASN 105.A ND2 TYR 232.A OH no hydrogen 2.880 N/A VAL 106.A N GLY 103.A O no hydrogen 2.956 N/A ASN 107.A N GLY 103.A O no hydrogen 2.923 N/A TRP 109.A NE1 SER 276.A OG no hydrogen 2.828 N/A SER 111.A OG GLY 112.A O no hydrogen 3.183 N/A GLY 112.A N GLU 13.A OE1 no hydrogen 2.985 N/A THR 115.A N GLY 112.A O no hydrogen 3.376 N/A THR 115.A OG1 GLU 13.A OE1 no hydrogen 2.535 N/A THR 115.A OG1 GLY 112.A O no hydrogen 3.511 N/A VAL 118.A N THR 115.A O no hydrogen 3.059 N/A LEU 119.A N THR 115.A O no hydrogen 2.729 N/A ARG 126.A N THR 123.A O no hydrogen 3.106 N/A ARG 126.A NE GLU 240.A OE1 no hydrogen 2.958 N/A ARG 126.A NH1 GLN 257.A OE1 no hydrogen 3.077 N/A ARG 126.A NH2 GLU 240.A OE1 no hydrogen 3.036 N/A ARG 126.A NH2 GLU 240.A OE2 no hydrogen 3.418 N/A ARG 126.A NH2 GLN 257.A OE1 no hydrogen 2.584 N/A GLU 128.A N GLY 125.A O no hydrogen 2.962 N/A SER 129.A OG GLU 131.A OE2 no hydrogen 2.551 N/A GLU 131.A N LEU 95.A O no hydrogen 2.880 N/A SER 133.A N GLY 93.A O no hydrogen 3.035 N/A SER 133.A OG GLU 131.A O no hydrogen 2.982 N/A VAL 134.A N TYR 150.A O no hydrogen 3.064 N/A ARG 135.A N ARG 91.A O no hydrogen 2.863 N/A ARG 135.A NE ASP 137.A OD2 no hydrogen 2.746 N/A ARG 135.A NH1 ASN 96.A O no hydrogen 2.912 N/A ARG 135.A NH1 ASP 101.A OD2 no hydrogen 2.727 N/A ARG 135.A NH2 ASP 101.A OD2 no hydrogen 2.861 N/A ARG 135.A NH2 ASP 137.A OD2 no hydrogen 3.225 N/A TYR 136.A N VAL 148.A O no hydrogen 2.810 N/A TYR 136.A OH PHE 87.A O no hydrogen 2.758 N/A ASP 137.A N THR 89.A O no hydrogen 2.758 N/A SER 138.A N GLY 146.A O no hydrogen 2.951 N/A SER 138.A OG PRO 139.A O no hydrogen 2.864 N/A SER 138.A OG GLY 146.A O no hydrogen 3.414 N/A PHE 141.A N PHE 144.A O no hydrogen 2.669 N/A PHE 144.A N PHE 141.A O no hydrogen 2.817 N/A SER 145.A N LYS 177.A O no hydrogen 2.959 N/A GLY 146.A N SER 138.A OG no hydrogen 2.873 N/A SER 147.A N GLY 175.A O no hydrogen 2.977 N/A SER 147.A OG ASP 137.A OD2 no hydrogen 2.709 N/A VAL 148.A N TYR 136.A O no hydrogen 3.080 N/A GLN 149.A N HIS 173.A O no hydrogen 2.762 N/A GLN 149.A NE2 ASN 96.A O no hydrogen 3.028 N/A GLN 149.A NE2 SER 133.A OG no hydrogen 2.957 N/A TYR 150.A N VAL 134.A O no hydrogen 2.938 N/A TYR 150.A OH GLU 170.A OE2 no hydrogen 2.644 N/A VAL 151.A N SER 171.A O no hydrogen 2.927 N/A ARG 153.A NH2 LYS 166.A O no hydrogen 2.728 N/A ASN 155.A N PRO 152.A O no hydrogen 3.067 N/A ALA 156.A N PRO 152.A O no hydrogen 2.953 N/A ASN 157.A N ARG 153.A O no hydrogen 2.994 N/A LYS 161.A N ASP 158.A O no hydrogen 2.965 N/A LYS 163.A N ASP 160.A O no hydrogen 3.037 N/A THR 165.A N ASP 160.A OD1 no hydrogen 3.319 N/A THR 165.A OG1 ASP 160.A OD1 no hydrogen 2.937 N/A LYS 166.A N ASP 160.A OD2 no hydrogen 2.903 N/A LYS 166.A NZ ASN 207.A OD1 no hydrogen 3.142 N/A SER 168.A OG GLU 170.A OE1 no hydrogen 2.479 N/A ARG 169.A NE ASP 196.A OD1 no hydrogen 2.913 N/A ARG 169.A NH1 SER 167.A O no hydrogen 2.892 N/A ARG 169.A NH2 ASP 196.A OD2 no hydrogen 2.856 N/A GLU 170.A N SER 168.A OG no hydrogen 3.124 N/A SER 171.A N VAL 151.A O no hydrogen 3.107 N/A TYR 172.A N PHE 191.A O no hydrogen 2.820 N/A HIS 173.A N GLN 149.A O no hydrogen 2.788 N/A ALA 174.A N GLY 189.A O no hydrogen 3.062 N/A GLY 175.A N SER 147.A O no hydrogen 3.008 N/A LEU 176.A N TYR 187.A O no hydrogen 2.885 N/A LYS 177.A N SER 145.A O no hydrogen 2.775 N/A TYR 178.A N GLY 185.A O no hydrogen 2.859 N/A GLU 179.A N GLY 143.A O no hydrogen 2.948 N/A ASN 180.A N PHE 183.A O no hydrogen 2.896 N/A ASN 180.A ND2 TYR 178.A OH no hydrogen 2.814 N/A PHE 183.A N ASN 180.A O no hydrogen 2.621 N/A PHE 184.A N GLY 225.A O no hydrogen 2.971 N/A GLY 185.A N TYR 178.A O no hydrogen 3.033 N/A GLN 186.A N VAL 223.A O no hydrogen 2.741 N/A TYR 187.A N LEU 176.A O no hydrogen 2.880 N/A ALA 188.A N ARG 221.A O no hydrogen 2.872 N/A GLY 189.A N ALA 174.A O no hydrogen 2.876 N/A SER 190.A N VAL 219.A O no hydrogen 3.014 N/A PHE 191.A N TYR 172.A O no hydrogen 2.882 N/A ALA 192.A N TYR 217.A O no hydrogen 2.861 N/A LYS 193.A NZ ASP 216.A OD1 no hydrogen 2.953 N/A ALA 195.A N VAL 214.A O no hydrogen 3.026 N/A LEU 197.A N HIS 212.A O no hydrogen 2.713 N/A ASN 198.A N GLU 202.A O no hydrogen 2.952 N/A ASN 198.A ND2 GLU 202.A OE2 no hydrogen 2.903 N/A ALA 201.A N ASN 198.A O no hydrogen 2.856 N/A GLU 202.A N ASN 198.A OD1 no hydrogen 3.044 N/A ARG 203.A NH2 SER 129.A OG no hydrogen 3.240 N/A VAL 204.A N ASP 196.A O no hydrogen 2.962 N/A THR 208.A N ALA 205.A O no hydrogen 3.171 N/A THR 208.A OG1 ALA 205.A O no hydrogen 2.847 N/A ALA 211.A N THR 208.A O no hydrogen 3.204 N/A HIS 212.A N LEU 197.A O no hydrogen 2.749 N/A HIS 212.A ND1 GLU 246.A OE1 no hydrogen 2.897 N/A VAL 214.A N ALA 195.A O no hydrogen 2.802 N/A LYS 215.A N LYS 243.A O no hydrogen 2.818 N/A ASP 216.A N LYS 193.A O no hydrogen 2.733 N/A TYR 217.A N ALA 192.A O no hydrogen 2.840 N/A GLN 218.A N ALA 241.A O no hydrogen 2.988 N/A VAL 219.A N SER 190.A O no hydrogen 3.037 N/A HIS 220.A N TYR 239.A O no hydrogen 2.779 N/A ARG 221.A N ALA 188.A O no hydrogen 2.803 N/A ARG 221.A NH1 GLU 128.A OE2 no hydrogen 2.787 N/A ARG 221.A NH2 ILE 124.A O no hydrogen 3.332 N/A ARG 221.A NH2 GLU 128.A OE2 no hydrogen 2.720 N/A VAL 222.A N GLY 237.A O no hydrogen 2.897 N/A VAL 223.A N GLN 186.A O no hydrogen 2.894 N/A ALA 224.A N VAL 235.A O no hydrogen 2.903 N/A GLY 225.A N PHE 184.A O no hydrogen 2.851 N/A TYR 226.A N VAL 233.A O no hydrogen 2.887 N/A ASP 227.A N GLY 182.A O no hydrogen 2.866 N/A ALA 228.A N LEU 231.A O no hydrogen 3.131 N/A ASN 229.A ND2 TYR 226.A OH no hydrogen 2.559 N/A LEU 231.A N ALA 228.A O no hydrogen 3.022 N/A TYR 232.A N ALA 265.A O no hydrogen 2.870 N/A TYR 232.A OH ASN 105.A O no hydrogen 3.254 N/A VAL 233.A N TYR 226.A O no hydrogen 2.821 N/A SER 234.A N THR 263.A O no hydrogen 2.830 N/A SER 234.A OG ASN 105.A O no hydrogen 2.652 N/A VAL 235.A N ALA 224.A O no hydrogen 2.865 N/A ALA 236.A N ALA 261.A O no hydrogen 2.644 N/A GLY 237.A N VAL 222.A O no hydrogen 2.891 N/A GLN 238.A N GLN 259.A O no hydrogen 2.767 N/A GLN 238.A NE2 ILE 124.A O no hydrogen 3.464 N/A TYR 239.A N HIS 220.A O no hydrogen 2.806 N/A TYR 239.A OH GLU 256.A OE1 no hydrogen 2.679 N/A GLU 240.A N GLN 257.A O no hydrogen 2.975 N/A ALA 241.A N GLN 218.A O no hydrogen 3.026 N/A ALA 242.A N HIS 255.A O no hydrogen 2.879 N/A LYS 243.A N LYS 215.A O no hydrogen 2.817 N/A LYS 243.A NZ ASP 216.A OD2 no hydrogen 2.511 N/A ASN 244.A N LYS 253.A O no hydrogen 2.629 N/A ASN 244.A ND2 ASN 286.A OD1 no hydrogen 2.644 N/A ASN 245.A N PRO 213.A O no hydrogen 2.942 N/A GLU 246.A N ASN 244.A OD1 no hydrogen 2.883 N/A LYS 251.A N GLY 248.A O no hydrogen 3.463 N/A GLY 252.A N ASN 244.A O no hydrogen 2.905 N/A LYS 253.A N ILE 250.A O no hydrogen 3.169 N/A HIS 255.A N ALA 242.A O no hydrogen 2.646 N/A GLU 256.A N LYS 284.A O no hydrogen 2.856 N/A GLN 257.A N GLU 240.A O no hydrogen 2.906 N/A GLN 257.A NE2 PHE 281.A O no hydrogen 2.919 N/A GLN 257.A NE2 TYR 293.A O no hydrogen 2.816 N/A GLN 259.A N GLN 238.A O no hydrogen 2.899 N/A GLN 259.A NE2 TYR 295.A OH no hydrogen 2.566 N/A VAL 260.A N HIS 279.A O no hydrogen 2.939 N/A ALA 261.A N ALA 236.A O no hydrogen 2.875 N/A ALA 262.A N TYR 277.A O no hydrogen 2.877 N/A THR 263.A N SER 234.A O no hydrogen 2.786 N/A THR 263.A OG1 SER 276.A OG no hydrogen 2.581 N/A ALA 264.A N VAL 275.A O no hydrogen 2.991 N/A ALA 265.A N TYR 232.A O no hydrogen 2.853 N/A TYR 266.A N PRO 273.A O no hydrogen 3.239 N/A ARG 267.A N ASP 230.A O no hydrogen 2.733 N/A ARG 267.A NH1 GLY 269.A O no hydrogen 3.141 N/A ARG 267.A NH1 ASP 305.A OD2 no hydrogen 2.979 N/A ARG 267.A NH2 ASP 305.A OD2 no hydrogen 2.803 N/A PHE 268.A N VAL 271.A O no hydrogen 2.765 N/A VAL 271.A N PHE 268.A O no hydrogen 3.151 N/A THR 272.A N ASP 303.A O no hydrogen 2.927 N/A ARG 274.A N GLY 301.A O no hydrogen 2.827 N/A ARG 274.A NH1 ASP 303.A OD2 no hydrogen 3.228 N/A ARG 274.A NH2 ASP 303.A OD1 no hydrogen 2.887 N/A ARG 274.A NH2 ASP 303.A OD2 no hydrogen 3.449 N/A VAL 275.A N ALA 264.A O no hydrogen 2.867 N/A SER 276.A N ILE 299.A O no hydrogen 2.776 N/A SER 276.A OG THR 263.A OG1 no hydrogen 2.581 N/A TYR 277.A N ALA 262.A O no hydrogen 2.899 N/A TYR 277.A OH ASP 296.A OD1 no hydrogen 2.806 N/A ALA 278.A N GLN 297.A O no hydrogen 2.988 N/A HIS 279.A N VAL 260.A O no hydrogen 2.961 N/A HIS 279.A ND1 ASP 296.A OD1 no hydrogen 2.768 N/A GLY 280.A N TYR 295.A O no hydrogen 2.883 N/A PHE 281.A N THR 258.A O no hydrogen 3.040 N/A ALA 283.A N ASP 290.A O no hydrogen 3.278 N/A LYS 284.A N GLU 256.A O no hydrogen 2.820 N/A LYS 284.A NZ GLU 256.A OE2 no hydrogen 3.507 N/A VAL 285.A N VAL 288.A O no hydrogen 2.777 N/A ASN 286.A N HIS 255.A ND1 no hydrogen 3.325 N/A GLY 287.A N LYS 254.A O no hydrogen 2.857 N/A VAL 288.A N VAL 285.A O no hydrogen 2.913 N/A ASP 290.A N ALA 283.A O no hydrogen 2.698 N/A ASN 292.A N ASP 290.A OD1 no hydrogen 3.175 N/A TYR 293.A N ASP 290.A O no hydrogen 3.357 N/A TYR 293.A OH THR 199.A O no hydrogen 2.513 N/A GLN 294.A N ALA 291.A O no hydrogen 3.169 N/A TYR 295.A N GLY 280.A O no hydrogen 2.943 N/A ASP 296.A N LYS 320.A O no hydrogen 2.955 N/A GLN 297.A N ALA 278.A O no hydrogen 2.869 N/A VAL 298.A N TRP 318.A O no hydrogen 2.945 N/A ILE 299.A N SER 276.A O no hydrogen 2.976 N/A VAL 300.A N ALA 316.A O no hydrogen 2.850 N/A GLY 301.A N ARG 274.A O no hydrogen 2.986 N/A ALA 302.A N VAL 314.A O no hydrogen 2.994 N/A ASP 303.A N THR 272.A O no hydrogen 2.781 N/A TYR 304.A N ALA 312.A O no hydrogen 2.604 N/A ASP 305.A N ASN 270.A O no hydrogen 2.929 N/A SER 307.A N THR 310.A O no hydrogen 3.185 N/A ARG 309.A N SER 307.A OG no hydrogen 3.121 N/A ARG 309.A NH1 LYS 340.A O no hydrogen 2.980 N/A THR 310.A N SER 307.A OG no hydrogen 2.984 N/A THR 310.A OG1 HIS 339.A ND1 no hydrogen 2.664 N/A SER 311.A N ARG 338.A O no hydrogen 2.966 N/A SER 311.A OG ASP 305.A OD1 no hydrogen 2.903 N/A ALA 312.A N TYR 304.A O no hydrogen 2.747 N/A LEU 313.A N GLY 336.A O no hydrogen 2.885 N/A VAL 314.A N ALA 302.A O no hydrogen 3.027 N/A SER 315.A N MET 334.A O no hydrogen 3.155 N/A ALA 316.A N VAL 300.A O no hydrogen 2.719 N/A GLY 317.A N ALA 332.A O no hydrogen 2.855 N/A TRP 318.A N VAL 298.A O no hydrogen 2.865 N/A LEU 319.A N GLN 330.A O no hydrogen 2.806 N/A LYS 320.A N ASP 296.A O no hydrogen 2.907 N/A GLN 321.A N VAL 328.A O no hydrogen 2.695 N/A GLY 322.A N GLN 294.A O no hydrogen 2.905 N/A LYS 323.A NZ GLN 294.A OE1 no hydrogen 3.075 N/A LYS 327.A NZ GLU 329.A OE2 no hydrogen 3.134 N/A VAL 328.A N GLN 321.A O no hydrogen 2.867 N/A GLU 329.A N LYS 18.A O no hydrogen 2.914 N/A GLN 330.A N LEU 319.A O no hydrogen 2.756 N/A THR 331.A N ARG 16.A O no hydrogen 2.983 N/A ALA 332.A N GLY 317.A O no hydrogen 3.032 N/A SER 333.A N VAL 14.A O no hydrogen 2.794 N/A MET 334.A N SER 315.A O no hydrogen 2.970 N/A VAL 335.A N VAL 12.A O no hydrogen 3.081 N/A GLY 336.A N LEU 313.A O no hydrogen 2.779 N/A LEU 337.A N ALA 10.A O no hydrogen 2.794 N/A ARG 338.A N SER 311.A O no hydrogen 2.872 N/A ARG 338.A NH1 GLU 110.A OE2 no hydrogen 3.021 N/A ARG 338.A NH2 SER 311.A OG no hydrogen 3.087 N/A HIS 339.A N ILE 8.A O no hydrogen 2.671 N/A HIS 339.A ND1 THR 310.A OG1 no hydrogen 2.664 N/A LYS 340.A N ARG 309.A O no hydrogen 2.854 N/A PHE 341.A N GLY 6.A O no hydrogen 2.835 N/A